Molecule

ID:86111

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₄O
Molecular Mass
140.14322
Exact Mass
140.0698109
Charge
0
InChI
InChI=1S/C5H8N4O/c1-3-2-4(10)9(8-3)5(6)7/h2,10H,1H3,(H3,6,7)
InChIKey
YEWVDWICZGEOHQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(n(n1)C(=N)N)O
Isomeric Smiles
n1(c(cc(n1)C)O)C(=N)N
Calculated Properties
JChem
Acid pKa
4.5266967
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.6466272
LogD (pH = 7.4)
-0.603713
Log P
-0.60403556
Molar Refractivity
56.7271
Polarizability
13.272575
Polar Surface Area
87.92
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation